(2R)-2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-phenylethanol

C16H21NO2 — CID 107093791

IUPAC(2R)-2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-phenylethanol
SMILESCc1cc(C(C)N[C@@H](CO)c2ccccc2)c(C)o1
InChIInChI=1S/C16H21NO2/c1-11-9-15(13(3)19-11)12(2)17-16(10-18)14-7-5-4-6-8-14/h4-9,12,16-18H,10H2,1-3H3/t12?,16-/m0/s1
InChIKeyCPWKTJASWULXHV-INSVYWFGSA-N
MW259.35 g/mol
LogP3.28
Rot. Bonds5

About (2R)-2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-phenylethanol

(2R)-2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-phenylethanol (PubChem CID 107093791) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is (2R)-2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-phenylethanol
PubChem CID107093791
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name(2R)-2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-phenylethanol
SMILESCc1cc(C(C)N[C@@H](CO)c2ccccc2)c(C)o1
InChIInChI=1S/C16H21NO2/c1-11-9-15(13(3)19-11)12(2)17-16(10-18)14-7-5-4-6-8-14/h4-9,12,16-18H,10H2,1-3H3/t12?,16-/m0/s1
InChIKeyCPWKTJASWULXHV-INSVYWFGSA-N
XLogP3.28
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-phenyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]ethanol
CID 103788833
2-[1-(2,5-dimethylfuran-3-yl)ethylamino]propane-1,3-diol
CID 65312937
2-[1-[[(1S)-2-hydroxy-1-phenylethyl]amino]ethyl]-5-methylphenol
CID 104582502
(1R)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81373945
(2S)-2-[1-(1-benzofuran-2-yl)ethylamino]-2-phenylethanol
CID 103784129
(2S)-2-[1-(2-methoxy-5-methylphenyl)ethylamino]-2-phenylethanol
CID 103784044
5-[1-[(2-hydroxy-1-phenylethyl)amino]ethyl]benzene-1,3-diol
CID 107706519
5-fluoro-2-[1-[(2-hydroxy-1-phenylethyl)amino]ethyl]phenol
CID 63182312
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 60927070
1-(3-bromophenyl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]ethanamine
CID 43673332
(2S)-2-phenyl-2-[1-(2,3,4-trichlorophenyl)ethylamino]ethanol
CID 103783992
(2S)-2-[1-(4-ethoxyphenyl)ethylamino]-2-phenylethanol
CID 103784132

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-phenylethanol?
The IUPAC name of (2R)-2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-phenylethanol (CID 107093791) is (2R)-2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-phenylethanol.
What is the SMILES notation for (2R)-2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-phenylethanol?
The canonical SMILES for (2R)-2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-phenylethanol is Cc1cc(C(C)N[C@@H](CO)c2ccccc2)c(C)o1.
What is the InChIKey of (2R)-2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-phenylethanol?
The InChIKey is CPWKTJASWULXHV-INSVYWFGSA-N. The full InChI is InChI=1S/C16H21NO2/c1-11-9-15(13(3)19-11)12(2)17-16(10-18)14-7-5-4-6-8-14/h4-9,12,16-18H,10H2,1-3H3/t12?,16-/m0/s1.
What are the key properties of (2R)-2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-phenylethanol?
(2R)-2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-phenylethanol has a molecular weight of 259.35 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-phenylethanol is sourced from PubChem (CID 107093791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).